SCHEMBL7576273

SCHEMBL7576273

CCc1cnc(C(=O)OC)c(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRK1 P41145 1/20 0.42
POLB P06746 2/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
GABRB3 P28472 1/20 0.42
MAPK1 P28482 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31436355 1.00 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL28965796 0.90 DHODH (0.44) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL29619789 0.90 DHODH (0.44) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL23517141 0.89 SMN1; SMN2 (0.40) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL28280234 0.88 KDM4E (0.41) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL31220981 0.87 KDM4E (0.41) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL30738741 0.87 CYP4F2 (0.46) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL2389957 0.87 KDM4E (0.41) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL2391237 0.87 CYP4F2 (0.46) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL18681199 0.87 LOXL2 (0.45) ALDH1A1TSHRKDM4EGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415767-A2 Process for preparing pyridine carboxylic acid derivatives HOECHST CELANESE CORPORATION (US) 1991-03-06 EP claimed
CN-119306660-A Refining method of imazethapyr intermediate 江苏省农用激素工程技术研究中心有限公司 2025-01-14 CN disclosed
CN-114644565-B Synthesis method of key intermediate of imidazolinone compound 江苏中旗科技股份有限公司 2024-05-03 CN disclosed
CN-114644565-A Synthesis method of key intermediate of imidazolone compound 江苏中旗科技股份有限公司 2022-06-21 CN disclosed
US-10858320-B2 Process for manufacturing substituted 5-methoxymethylpyridine-2,3-dicarboxylic acid derivatives BASF AGROCHEMICAL PRODUCTS B.V. (NL) 2020-12-08 US disclosed
US-9891235-B2 Pathway specific assays for predicting irritable bowel syndrome diagnosis NESTEC S.A. (CH) 2018-02-13 US disclosed
US-20170226060-A1 Process for Manufacturing Substituted 5-Methoxymethylpyridine-2,3-Dicarboxylic Acid Derivatives BASF AGROCHEMICAL PRODUCTS B.V. (PR) 2017-08-10 US disclosed
US-20170226060-A1 Process for Manufacturing Substituted 5-Methoxymethylpyridine-2,3-Dicarboxylic Acid Derivatives BASF AGROCHEMICAL PRODUCTS B.V. (PR) 2017-08-10 US disclosed
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS NESTEC S.A. (CH) 2016-05-12 US disclosed
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS NESTEC S.A. (CH) 2016-05-12 US disclosed
US-20110224433-A1 Process for Manufacturing Substituted 3-pyridylmethyl Ammonium Bromides BASF SE (DE) 2011-09-15 US disclosed
EP-0588372-B1 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL IND CO LTD (JP) 2002-10-02 EP disclosed
EP-0588372-A1 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-23 EP disclosed
US-5252739-A Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL IND. CO., LTD. (JP) 1993-10-12 US disclosed
US-5175300-A Reacting a halo-oxalactic ester with 2-propenal and ammonia; cyclization SUGAI CHEMICAL IND. CO., LTD. (JP) 1992-12-29 US disclosed
EP-0220518-B1 PREPARATION OF SUBSTITUTED AND DISUBSTITUTED PYRIDINE-2,3-DICARBOXYLATE ESTERS AMERICAN CYANAMID COMPANY (US) 1991-02-06 EP disclosed
EP-0357792-A1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-03-14 EP disclosed
EP-0292032-A1 Process for the preparation of pyridine-2,3-dicarboxylic acid derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-11-23 EP disclosed
US-4723011-A ALPHA-HALO-BETA-KETOESTERS, ALPHA, BETA UNSATURATED KETONE OR ALDEHYDE, AMMONIUM SALT AMERICAN CYANAMID COMPANY (US) 1988-02-02 US disclosed
EP-0220518-A2 Preparation of substituted and disubstituted pyridine-2,3-dicarboxylate esters AMERICAN CYANAMID COMPANY (US) 1987-05-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110224433-A1 Process for Manufacturing Substituted 3-pyridylmethyl Ammonium Bromides NCOR2, NCOR1, CBR3 ALDH1A1 2991/4885TSHR 300/4885KDM4E 1043/4885
US-20170226060-A1 Process for Manufacturing Substituted 5-Methoxymethylpyridine-2,3-Dicarboxylic Acid Derivatives DDT, DDC, CYP4X1 ALDH1A1 79/4885TSHR 3983/4885KDM4E 183/4885
US-20160130279-A1 PATHWAY SPECIFIC ASSAYS FOR PREDICTING IRRITABLE BOWEL SYNDROME DIAGNOSIS FABP2, TPH2, TPH1 ALDH1A1 3209/4885TSHR 1681/4885KDM4E 4546/4885
US-10858320-B2 Process for manufacturing substituted 5-methoxymethylpyridine-2,3-dicarboxylic acid derivatives DDT, DDC, CYP4X1 ALDH1A1 79/4885TSHR 3983/4885KDM4E 183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.